3-phenyl-1-(8-phenyl-4H-benzo[f][1,2,3]triazolo[1,5-a][1,4]diazepin-5(6H)-yl)propan-1-one | 1358787-63-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯二氮卓类
• 英文名称: 3-phenyl-1-(8-phenyl-4H-benzo[f][1,2,3]triazolo[1,5-a][1,4]diazepin-5(6H)-yl)propan-1-one
• 英文别名: 3-phenyl-1-(8-phenyl-4,6-dihydrotriazolo[1,5-a][1,4]benzodiazepin-5-yl)propan-1-one
• CAS: 1358787-63-9
• 化学式: C₂₅H₂₂N₄O
• 分子量: 394.476
• InChiKey: XZJYBRNKYFTKBZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  30
• 可旋转键数：
  4
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.16
• 拓扑面积：
  51
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  8-bromo-5,6-dihydro-4H-benzo[f][1,2,3]triazolo[1,5-a][1,4]diazepine 在 二(三叔丁基膦)钯 、 caesium carbonate 、 三乙胺 作用下， 以 1,4-二氧六环 、 二氯甲烷 为溶剂， 生成 3-phenyl-1-(8-phenyl-4H-benzo[f][1,2,3]triazolo[1,5-a][1,4]diazepin-5(6H)-yl)propan-1-one
  参考文献：
  名称：

  Application of a Sequential Multicomponent Assembly Process/Huisgen Cycloaddition Strategy to the Preparation of Libraries of 1,2,3-Triazole-Fused 1,4-Benzodiazepines

  摘要：

  A strategy featuring a multicomponent assembly process followed by an intramolecular azide-alkyne dipolar (Huisgen) cycloaddition was implemented for the facile synthesis of three different 1,2,3-triazolo-1,4-benzodiazepine scaffolds. A diverse library of 170 compounds derived from these scaffolds was then created through N-functionalizations, palladium catalyzed cross coupling reactions, and several applications of alpha-aminonitrile chemistry.

  DOI：

  10.1021/co2002087

文献信息

• Application of a Sequential Multicomponent Assembly Process/Huisgen Cycloaddition Strategy to the Preparation of Libraries of 1,2,3-Triazole-Fused 1,4-Benzodiazepines
  作者：James R. Donald、Rebekah R. Wood、Stephen F. Martin

  DOI：10.1021/co2002087

  日期：2012.2.13

  A strategy featuring a multicomponent assembly process followed by an intramolecular azide-alkyne dipolar (Huisgen) cycloaddition was implemented for the facile synthesis of three different 1,2,3-triazolo-1,4-benzodiazepine scaffolds. A diverse library of 170 compounds derived from these scaffolds was then created through N-functionalizations, palladium catalyzed cross coupling reactions, and several applications of alpha-aminonitrile chemistry.